Information card for entry 7036348

Structure parameters

• Common name: [Ru(L1)(L2)(L3)(ClO4)2]
• Formula: C37 H25 Cl2 N9 O8 Ru
• Calculated formula: C37 H25 Cl2 N9 O8 Ru
• SMILES: [Ru]123([n]4nc5c6cccc7cccc(c67)c5nc4c4[n]1ccnc4)([n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1)[n]1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, characterization and biological evaluation of mixed-ligand ruthenium(ii) complexes for photodynamic therapy.
• Authors of publication: Huang, Huaiyi; Zhang, Pingyu; Yu, Bole; Jin, Chengzhi; Ji, Liangnian; Chao, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17335 - 17345
• a: 9.0843 ± 0.0017 Å
• b: 10.6661 ± 0.0019 Å
• c: 22.98 ± 0.004 Å
• α: 94.141 ± 0.003°
• β: 98.605 ± 0.003°
• γ: 107.719 ± 0.003°
• Cell volume: 2080.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No